[
  {
    "molid": "mol26254",
    "smiles": "Cc1nc2c(O)nc[n+](C)c2nc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc2c([O-])nc[n+](C)c2nc1C",
        "std_free_energy": -5.437286376953125,
        "relative_population": 0.9996550218559551
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1nc2c(O)nc[n+](C)c2nc1C",
        "std_free_energy": 3.178510904312134,
        "relative_population": 0.9918137116867495
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.73,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]